Table 1.
Evaluation of human blood-brain barrier (BBB) and intestinal absorption properties (or ADMET chemical profiles) of microbial small-molecules. As indicated, most of the microbiota-associated molecules have the potential to cross the intestinal epithelial layer as well as BBB, except kynurenic acid, dopamine and phenylethanolamine.
| Microbial metabolite ligands | Intestinal Absorption |
Blood-brain barrier permeability |
|||
|---|---|---|---|---|---|
| Absorption | Probability | Absorption | Probability | ||
| Microbiota-encoded | N-acyl serinol | Yes | 0.98 | Yes | 0.76 |
| N-acyl alanine | Yes | 0.9 | Yes | 0.93 | |
| N-acyl lysine/ornithine | Yes | 0.94 | Yes | 0.9 | |
| N-oxyacyl glutamine | Yes | 0.65 | Yes | 0.86 | |
| N-acyl glycine/commendamide | Yes | 0.74 | Yes | 0.84 | |
| Phe-Val | Yes | 0.91 | Yes | 0.59 | |
| Tyr-Val | Yes | 0.81 | Yes | 0.82 | |
| Microbial transformation of host molecules | Glycocholic acid | Yes | 0.95 | Yes | 0.84 |
| Phenylalanocholic acid | – | – | – | – | |
| Tyrosocholic acid | Yes | 0.93 | Yes | 0.71 | |
| Leucocholic acid | – | – | – | – | |
| Microbial transformation of dietary precursors | Acetate | Yes | 0.95 | Yes | 0.97 |
| Butyrate | Yes | 0.96 | Yes | 0.98 | |
| Propionate | Yes | 0.96 | Yes | 0.97 | |
| Tryptophan | Yes | 0.95 | Yes | 0.98 | |
| Tryptamine | Yes | 1 | Yes | 0.98 | |
| Serotonin | Yes | 1 | Yes | 0.98 | |
| Kynurenic acid | Yes | 0.98 | No | 0.55 | |
| Indole acetic acid | Yes | 1 | Yes | 0.99 | |
| Indole propionic acid | Yes | 1 | Yes | 0.98 | |
| Indolelactic acid | Yes | 1 | Yes | 0.87 | |
| Indoxyl sulfate | Yes | 1 | Yes | 0.87 | |
| Indoleacrylic acid | Yes | 1 | Yes | 0.97 | |
| P-cresol | Yes | 1 | Yes | 0.89 | |
| 4-ethylphenyl sulfate | Yes | 0.98 | Yes | 0.94 | |
| Dopamine | Yes | 0.96 | No | 0.84 | |
| Histamine | Yes | 0.98 | Yes | 0.86 | |
| Phenylalanine | Yes | 0.97 | Yes | 0.59 | |
| N-Cinnamoylglycine | Yes | 0.97 | Yes | 0.93 | |
| Hippuric acid | Yes | 0.94 | Yes | 0.93 | |
| Phenylethanolamine | Yes | 0.98 | No | 0.56 | |
| Gamma-aminobutyric acid | Yes | 0.93 | Yes | 0.91 | |